6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole


Chemical Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfonyl]-1H-benzimidazole
CAS Number: 127780-16-9
Product Number: AG000XED(AGN-PC-0JNN7U)
Synonyms:
MDL No:
Molecular Formula: C16H15F2N3O5S
Molecular Weight: 399.3692

Identification/Properties


Computed Properties
Molecular Weight:
399.369g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
7
Exact Mass:
399.07g/mol
Monoisotopic Mass:
399.07g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
591
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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